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65365

(S)-(+)-α-Methoxy-α-(trifluoromethyl)phenylacetyl chloride

Name: (<I>S</I>)-(+)-α-Methoxy-α-(trifluoromethyl)phenylacetyl chloride
Brand: SIAL

derivatization grade (chiral), LiChropur^™, ≥99.0%

Synonym(s):

(S)-(+)-MTPA-Cl, Mosher’s acid chloride

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About This Item

Linear Formula:

C₆H₅C(OCH₃)(CF₃)COCl

CAS Number:

20445-33-4

Molecular Weight:

252.62

UNSPSC Code:

23151817

NACRES:

NA.22

PubChem Substance ID:

329760057

MDL number:

MFCD00067105

Beilstein/REAXYS Number:

3591562

Assay:

≥99.0% (AT), ≥99.0%

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Properties

grade

derivatization grade (chiral)

Quality Level

100

assay

≥99.0% (AT), ≥99.0%

optical activity

[α]20/D +132±2°, c = 6% in chloroform

optical purity

enantiomeric ratio: ≥99.5:0.5 (GC)

quality

LiChropur^™

technique(s)

HPLC: suitable

refractive index

n20/D 1.469

bp

213-214 °C (lit.)

density

1.35 g/mL at 25 °C (lit.)

shipped in

wet ice

storage temp.

−20°C

SMILES string

CO[C@@](C(Cl)=O)(c1ccccc1)C(F)(F)F

InChI

1S/C10H8ClF3O2/c1-16-9(8(11)15,10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m1/s1

InChI key

PAORVUMOXXAMPL-SECBINFHSA-N

Description

Application

Determination of absolute configuration of stereogenic carbinol carbons; doi:10.1038/nprot.2007.354

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

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pictograms

GHS05

signalword

Danger

hcodes

H314

pcodes

P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405

Hazard Classifications

Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

192.2 °F - closed cup

flash_point_c

89 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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High-performance liquid chromatographic resolution of enantiomers of 1-phenyl-2-aminopropanes (amphetamines) with four chiral reagents.

K J Miller et al.

Journal of chromatography, 307(2), 335-342 (1984-05-11)

High-performance liquid chromatography (HPLC) was employed for resolution of enantiomers of chiral ring-substituted 1-phenyl-2- aminopropanes (amphetamines) and 1-phenylethylamine following derivatization with four chiral reagents: (R)-(+)-1-phenylethyl isocyanate ( PEIC ), (-)-alpha-methoxy-alpha-(trifluoromethyl)phenylacetyl chloride ( MTPA X Cl), 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl isothiocyanate ( GITC )

Mosher ester analysis for the determination of absolute configuration of stereogenic (chiral) carbinol carbons.

Thomas R Hoye et al.

Nature protocols, 2(10), 2451-2458 (2007-10-20)

This protocol details the most commonly used nuclear magnetic resonance (NMR)-based method for deducing the configuration of otherwise unknown stereogenic, secondary carbinol (alcohol) centers (R1R2CHOH (or the analogous amines where OH is replaced by NH2)). This 'Mosher ester analysis' relies

Global Trade Item Number

SKU	GTIN
65365-500MG-F	04061838062079
65365-100MG-F	04061838261120